SCHEMBL7621164

SCHEMBL7621164

NC(CCCO)CCS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
APP P05067 1/20 0.39
LMNA P02545 1/20 0.37
SLC6A6 P31641 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
ENPEP Q07075 6/20 0.34
TP53 P04637 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27651670 0.94 S1PR2 (0.44) S1PR2S1PR1S1PR3APPLMNA
SCHEMBL27651658 0.92 S1PR2 (0.46) S1PR2S1PR1S1PR3APPLMNA
SCHEMBL4744742 0.86 S1PR2 (0.44) S1PR2S1PR1S1PR3APPLMNA
SCHEMBL28586828 0.81 APP (0.54) S1PR2S1PR1S1PR3APPLMNA
SCHEMBL353077 0.81 S1PR2 (0.59) S1PR2S1PR1S1PR3APPENPEP
SCHEMBL2168312 0.80 ENPEP (0.40) S1PR2S1PR1S1PR3APPENPEP
SCHEMBL7160448 0.79 LMNA (0.42) S1PR2S1PR1S1PR3APPLMNA
Sulfuric Acid SCHEMBL1833455 0.78 APP (0.39) APPLMNASLC6A6CYP2C19BLM
SCHEMBL27810744 0.78 LTA4H (0.33) APPENPEPTP53
Sulfuric Acid SCHEMBL1833456 0.78 APP (0.39) APPLMNASLC6A6CYP2C19BLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237547-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2002-09-11 EP claimed
WO-2001003680-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2001-01-18 WO claimed
US-9763900-B2 Chemical chaperonins as novel molecular modulators of beta protein aggregation present in conformational diseases CENTRO DE NEUROCIENCIAS DE CUBA (CU) 2017-09-19 US disclosed
US-20160106691-A1 CHEMICAL CHAPERONINS AS NOVEL MOLECULAR MODULATORS OF BETA PROTEIN AGGREGATION PRESENT IN CONFORMATIONAL DISEASES CENTRO DE NEUROCIENCIAS DE CUBA (NEURONIC) (CU) 2016-04-21 US disclosed
EP-1237547-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2002-09-11 EP disclosed
WO-2001003680-A2 COMPOUNDS FOR INHIBITING DISEASES AND PREPARING CELLS FOR TRANSPLANTATION ISIS INNOVATION LIMITED (GB) 2001-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160106691-A1 CHEMICAL CHAPERONINS AS NOVEL MOLECULAR MODULATORS OF BETA PROTEIN AGGREGATION PRESENT IN CONFORMATIONAL DISEASES HSPA2, HSPB1, HSP90AB2P S1PR2 4479/4885S1PR1 4814/4885S1PR3 4792/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.